A method for estimating the risk of drug-induced phototoxicity and its application to smoothened inhibitors†
Abstract
The energy difference between the frontier-orbital HOMO–LUMO gaps calculated for the ground state of marketed oral
* Corresponding authors
a
Novartis Institutes for BioMedical Research, 250 Massachusetts Avenue, Cambridge, MA, USA
E-mail:
stefan.peukert@novartis.com
Fax: (+1) 617 871 4081
Tel: (+1) 617 871 3644
b Novartis Institutes for BioMedical Research, Preclinical Safety, Basel, Switzerland
c China Novartis Institutes for BioMedical Research, No. 8 Building, Lane 989 Halei Road, Zhangjiang Hi-Tech Park, China
The energy difference between the frontier-orbital HOMO–LUMO gaps calculated for the ground state of marketed oral
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